In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 31 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.61 | 10.31 | -55.95 | 0 | 7 | -1 | 91 | 449.899 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 9.7 | -21.73 | 1 | 7 | 0 | 88 | 450.907 | 4 | ↓ |